(1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine

C17H17Cl2N5O — CID 7188695

IUPAC(1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
SMILESCN[C@H](c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1cccc(C)c1
InChIInChI=1S/C17H17Cl2N5O/c1-10-5-4-6-12(7-10)24-17(21-22-23-24)15(20-2)13-8-11(18)9-14(19)16(13)25-3/h4-9,15,20H,1-3H3/t15-/m1/s1
InChIKeyGQLFRUQVCQSDKM-OAHLLOKOSA-N
MW378.26 g/mol
LogP3.59
Rot. Bonds5

About (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine

(1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine (PubChem CID 7188695) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name(1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
PubChem CID7188695
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name(1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
SMILESCN[C@H](c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1cccc(C)c1
InChIInChI=1S/C17H17Cl2N5O/c1-10-5-4-6-12(7-10)24-17(21-22-23-24)15(20-2)13-8-11(18)9-14(19)16(13)25-3/h4-9,15,20H,1-3H3/t15-/m1/s1
InChIKeyGQLFRUQVCQSDKM-OAHLLOKOSA-N
XLogP3.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
CID 3109941
N-[(3,5-dichloro-2-methoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-ethylethanamine
CID 4537344
2-(3,5-dichloro-2-methoxyphenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-methylacetamide
CID 22304535
1-(4-chlorophenyl)-N,N-dimethyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine
CID 126478176
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
N-methyl-2-[1-(3-methylphenyl)tetrazol-5-yl]propan-2-amine
CID 53009741
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
ethyl 4-[5-[(S)-methylamino(phenyl)methyl]tetrazol-1-yl]benzoate
CID 41068641
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376804
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 998134
N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107623260

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine (CID 7188695) is (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine is CN[C@H](c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1cccc(C)c1.
What is the InChIKey of (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is GQLFRUQVCQSDKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-10-5-4-6-12(7-10)24-17(21-22-23-24)15(20-2)13-8-11(18)9-14(19)16(13)25-3/h4-9,15,20H,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine?
(1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 378.26 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichloro-2-methoxyphenyl)-N-methyl-1-[1-(3-methylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 7188695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).